Compound Identification
SMILES
COC(=O)[C@]1(C)[NH2+][C@H]([C@@H]2[C@H]1C(=O)N(C2=O)C1=CC=C(F)C=C1)C1=CC=CS1
InChIKey
InChIKey=UAQUHXAYVUOFLR-XMDUPGNXSA-O
Formula
C19H18FN2O4S
Mass
389.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Phenylpyrrolidines Beta amino acids and derivatives Pyrrolidine carboxylic acids Aralkylamines Fluorobenzenes Pyrrolidine-2-ones Aryl fluorides N-substituted carboxylic acid imides Thiophenes Quaternary ammonium salts Pyrroles Dicarboximides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Beta amino acid or derivatives - 1-phenylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Methyl ester - Pyrrole - Thiophene - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Lactam - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic nitrogen compound - Amine - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available